1-[3-[(1-methylpyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-[(1-methylpyrazol-4-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-[(1-methylpyrazol-4-yl)methylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-[(1-methyl-4-pyrazolyl)methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-[(1-methylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-keto-3-[(1-methylpyrazol-4-yl)methylamino]propyl]pyrazole-3-carboxylic acid Formula: C12H15N5O3 MolecularWeight: 277.2792

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)CCN2C=CC(=N2)C(=O)O

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)CCN2C=CC(=N2)C(=O)O

InChI

InChI=1S/C12H15N5O3/c1-16-8-9(7-14-16)6-13-11(18)3-5-17-4-2-10(15-17)12(19)20/h2,4,7-8H,3,5-6H2,1H3,(H,13,18)(H,19,20)